Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C22H19NO2/c24-23(25)21-13-11-20(12-14-21)22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15H,5-7,9H2
SMILES [O-][N+](=O)c1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key XRZQCHKTIVOMJE-UHFFFAOYSA-N
Molecular Formula C22H19NO2
Exact Mass 329.392 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XRZQCHKTIVOMJE-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/XRZQCHKTIVOMJE-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 5-(4-nitrophenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : Dec12-2023

    date : 20231212

    starting time : 12.51 h

    label : KT-588

    id : 287740

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    145707042 PubChem
    MIMDEV CCDC
    The data in this table is sourced from UniChem at EBI.